N-[2-(5-bromo-2-pyridinyl)-1-(4-bromothiophen-2-yl)ethyl]propan-1-amine

C14H16Br2N2S — CID 104802222

IUPACN-[2-(5-bromo-2-pyridinyl)-1-(4-bromothiophen-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Br)cn1)c1cc(Br)cs1
InChIInChI=1S/C14H16Br2N2S/c1-2-5-17-13(14-6-11(16)9-19-14)7-12-4-3-10(15)8-18-12/h3-4,6,8-9,13,17H,2,5,7H2,1H3
InChIKeyJYRAJLPYYOTHFU-UHFFFAOYSA-N
MW404.17 g/mol
LogP4.95
Rot. Bonds6

About N-[2-(5-bromo-2-pyridinyl)-1-(4-bromothiophen-2-yl)ethyl]propan-1-amine

N-[2-(5-bromo-2-pyridinyl)-1-(4-bromothiophen-2-yl)ethyl]propan-1-amine (PubChem CID 104802222) has the molecular formula C14H16Br2N2S and a molecular weight of 404.17 g/mol. Its IUPAC name is N-[2-(5-bromo-2-pyridinyl)-1-(4-bromothiophen-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(5-bromo-2-pyridinyl)-1-(4-bromothiophen-2-yl)ethyl]propan-1-amine
PubChem CID104802222
Molecular FormulaC14H16Br2N2S
Molecular Weight404.17 g/mol
Exact Mass401.94
IUPAC NameN-[2-(5-bromo-2-pyridinyl)-1-(4-bromothiophen-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Br)cn1)c1cc(Br)cs1
InChIInChI=1S/C14H16Br2N2S/c1-2-5-17-13(14-6-11(16)9-19-14)7-12-4-3-10(15)8-18-12/h3-4,6,8-9,13,17H,2,5,7H2,1H3
InChIKeyJYRAJLPYYOTHFU-UHFFFAOYSA-N
XLogP4.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.17
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-bromo-2-pyridinyl)-1-(3-bromothiophen-2-yl)ethyl]propan-1-amine
CID 105036190
N-[2-(5-bromo-2-pyridinyl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine
CID 107946720
N-[2-(5-bromo-2-pyridinyl)-1-(3,4-dimethylphenyl)ethyl]propan-1-amine
CID 105036368
N-[1-(4-methoxythiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 81123059
N-[2-(5-bromo-2-pyridinyl)-1-(4-propylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105180987
N-[1-(4-bromo-3-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethyl]propan-1-amine
CID 105036522
N-[1-(2-bromo-4-fluorophenyl)-2-(5-bromo-2-pyridinyl)ethyl]propan-1-amine
CID 105036047
N-[2-(5-bromo-2-pyridinyl)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 104800981
N-[2-(5-bromo-2-pyridinyl)-1-(2-fluorophenyl)ethyl]propan-1-amine
CID 104801976
N-[2-(5-bromo-2-pyridinyl)-1-pyridin-3-ylethyl]propan-1-amine
CID 104801238
N-[2-(5-bromo-2-pyridinyl)-1-(2-methylfuran-3-yl)ethyl]propan-1-amine
CID 104804098
N-[2-(5-bromo-2-pyridinyl)-1-(2-chloro-4-fluorophenyl)ethyl]propan-1-amine
CID 104801920

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-2-pyridinyl)-1-(4-bromothiophen-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(5-bromo-2-pyridinyl)-1-(4-bromothiophen-2-yl)ethyl]propan-1-amine (CID 104802222) is N-[2-(5-bromo-2-pyridinyl)-1-(4-bromothiophen-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(5-bromo-2-pyridinyl)-1-(4-bromothiophen-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(5-bromo-2-pyridinyl)-1-(4-bromothiophen-2-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(Br)cn1)c1cc(Br)cs1.
What is the InChIKey of N-[2-(5-bromo-2-pyridinyl)-1-(4-bromothiophen-2-yl)ethyl]propan-1-amine?
The InChIKey is JYRAJLPYYOTHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Br2N2S/c1-2-5-17-13(14-6-11(16)9-19-14)7-12-4-3-10(15)8-18-12/h3-4,6,8-9,13,17H,2,5,7H2,1H3.
What are the key properties of N-[2-(5-bromo-2-pyridinyl)-1-(4-bromothiophen-2-yl)ethyl]propan-1-amine?
N-[2-(5-bromo-2-pyridinyl)-1-(4-bromothiophen-2-yl)ethyl]propan-1-amine has a molecular weight of 404.17 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromo-2-pyridinyl)-1-(4-bromothiophen-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 104802222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).